CS-0254155
2-Bromo-4-ethyl-3-fluorobenzonitrile
Manufacturer: ChemScene
CAS Number: 2709748-59-2
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₉H₇BrFN
Molecular Weight
228.06
Synonyms
None
SMILES
N#CC1=CC=C(CC)C(F)=C1Br
Tpsa
23.79
Logp
3.02228
H Acceptors
1
H Donors
0
Rotatable Bonds
1
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SAFETY INFORMATION
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₇BrFN
Molecular Weight: 228.06
Synonyms: None
SMILES: N#CC1=CC=C(CC)C(F)=C1Br
Tpsa: 23.79
Logp: 3.02228
H Acceptors: 1
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₇BrFN
Molecular Weight:
228.06
Synonyms:
None
SMILES:
N#CC1=CC=C(CC)C(F)=C1Br
Tpsa:
23.79
Logp:
3.02228
H Acceptors:
1
H Donors:
0
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: polypeptide, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉₅H₁₂₈F₃N₂₅O₂₈S₃
Molecular Weight: 2221.37
Synonyms: scJag-1 (TFA)
SMILES: O=C(N[C@@H](CS)C(NCC(N1[C@@H](CCC1)C(N[C@@H](CC(O)=O)C(N[C@@H](CS)C(N[C@@H](CC2=CC=CC=C2)C(N[C@@H](CC(O)=O)C(N[C@@H](CC(N)=O)C(N[C@@H](CC3=CC=C(C=C3)O)C(NCC(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC4=CC=C(C=C4)O)C(N[C@@H](CCCCN)C(N[C@@H](CC5=CC=C(C=C5)O)C(N[C@@H](CS)C(N[C@@H](CC6=CC=CC=C6)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](CCCNC(N)=N)N.O=C(O)C(F)(F)F
Tpsa: 885.63
Logp: -6.84256
H Acceptors: 31
H Donors: 34
Rotatable Bonds: 63
Purity:
98%
MDL No:
None
Storage:
polypeptide, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉₅H₁₂₈F₃N₂₅O₂₈S₃
Molecular Weight:
2221.37
Synonyms:
scJag-1 (TFA)
SMILES:
O=C(N[C@@H](CS)C(NCC(N1[C@@H](CCC1)C(N[C@@H](CC(O)=O)C(N[C@@H](CS)C(N[C@@H](CC2=CC=CC=C2)C(N[C@@H](CC(O)=O)C(N[C@@H](CC(N)=O)C(N[C@@H](CC3=CC=C(C=C3)O)C(NCC(N[C@@H](CCCNC(N)=N)C(N[C@@H](CC4=CC=C(C=C4)O)C(N[C@@H](CCCCN)C(N[C@@H](CC5=CC=C(C=C5)O)C(N[C@@H](CS)C(N[C@@H](CC6=CC=CC=C6)C(O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)[C@H](CCCNC(N)=N)N.O=C(O)C(F)(F)F
Tpsa:
885.63
Logp:
-6.84256
H Acceptors:
31
H Donors:
34
Rotatable Bonds:
63
Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₈N₂O₄S
Molecular Weight: 298.36
Synonyms: 5-(Dimethylsulfamoyl)-2-(pyrrolidin-1-yl)benzoic acid
SMILES: O=C(O)C1=CC(S(=O)(N(C)C)=O)=CC=C1N2CCCC2
Tpsa: 77.92
Logp: 1.2353
H Acceptors: 4
H Donors: 1
Rotatable Bonds: 4
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₈N₂O₄S
Molecular Weight:
298.36
Synonyms:
5-(Dimethylsulfamoyl)-2-(pyrrolidin-1-yl)benzoic acid
SMILES:
O=C(O)C1=CC(S(=O)(N(C)C)=O)=CC=C1N2CCCC2
Tpsa:
77.92
Logp:
1.2353
H Acceptors:
4
H Donors:
1
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₂H₂₅NO₆
Molecular Weight: 399.44
Synonyms: (+-)-Colchicine
SMILES: O=C1C=C2C(C3=C(C(OC)=C(C=C3CCC2NC(C)=O)OC)OC)=CC=C1OC
Tpsa: 83.09
Logp: 2.8716
H Acceptors: 6
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₂H₂₅NO₆
Molecular Weight:
399.44
Synonyms:
(+-)-Colchicine
SMILES:
O=C1C=C2C(C3=C(C(OC)=C(C=C3CCC2NC(C)=O)OC)OC)=CC=C1OC
Tpsa:
83.09
Logp:
2.8716
H Acceptors:
6
H Donors:
1
Rotatable Bonds:
5